dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate

C23H30Ag2F3Li2N3O9P2S — CID 139163298

IUPACdilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate
SMILESCCOP([O-])OCC.CCOP([O-])OCC.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Li+].[Li+].c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1
InChIInChI=1S/C14H10N3.2C4H10O3P.CHF3O3S.2Ag.2Li/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;2*1-3-6-8(5)7-4-2;2-1(3,4)8(5,6)7;;;;/h1-10H;2*3-4H2,1-2H3;(H,5,6,7);;;;/q3*-1;;4*+1/p-1
InChIKeyBOPRSTATJZQHMJ-UHFFFAOYSA-M
MW873.13 g/mol
LogP-1.88
Rot. Bonds10

About dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate

dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate (PubChem CID 139163298) has the molecular formula C23H30Ag2F3Li2N3O9P2S and a molecular weight of 873.13 g/mol. Its IUPAC name is dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate.

Molecular Properties

Compound Namedilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate
PubChem CID139163298
Molecular FormulaC23H30Ag2F3Li2N3O9P2S
Molecular Weight873.13 g/mol
Exact Mass870.96
IUPAC Namedilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate
SMILESCCOP([O-])OCC.CCOP([O-])OCC.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Li+].[Li+].c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1
InChIInChI=1S/C14H10N3.2C4H10O3P.CHF3O3S.2Ag.2Li/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;2*1-3-6-8(5)7-4-2;2-1(3,4)8(5,6)7;;;;/h1-10H;2*3-4H2,1-2H3;(H,5,6,7);;;;/q3*-1;;4*+1/p-1
InChIKeyBOPRSTATJZQHMJ-UHFFFAOYSA-M
XLogP-1.88
TPSA180.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.13
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

bis((1Z,5Z)-cycloocta-1,5-diene);bis(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine);bis(ruthenium(2+));bis(trifluoromethanesulfonate)
CID 139169569
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CID 139200433
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CID 139178913
iridium(3+);bis(2-phenylpyridine);trifluoromethanesulfonate;dihydroxide
CID 74220779
acetonitrile;cobalt(2+);2-pyridin-2-yl-6-[1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine;bis(trifluoromethanesulfonate)
CID 139042422
acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane)
CID 139170850
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4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
dichloromethane;tetrakis(dipyridin-2-ylazanide);oxygen(2-);tris(trifluoromethanesulfonate);tungsten
CID 139186252
propane;2-pyridin-2-ylpyridine
CID 158168510
ethyl 4-pyridin-2-yl-3-(trifluoromethylsulfanyl)benzoate
CID 102236679
[2-[3,5-bis[2-[oxido(dipyridin-2-yl)methyl]phenyl]phenyl]phenyl]-dipyridin-2-ylmethanolate;1,2-dimethoxyethane;ethoxyethane;tris(manganese(3+));bis(oxygen(2-));tris(trifluoromethanesulfonate);yttrium(3+);diacetate
CID 139051038

Frequently Asked Questions

What is the IUPAC name of dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate?
The IUPAC name of dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate (CID 139163298) is dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate.
What is the SMILES notation for dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate?
The canonical SMILES for dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate is CCOP([O-])OCC.CCOP([O-])OCC.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Li+].[Li+].c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1.
What is the InChIKey of dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate?
The InChIKey is BOPRSTATJZQHMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10N3.2C4H10O3P.CHF3O3S.2Ag.2Li/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;2*1-3-6-8(5)7-4-2;2-1(3,4)8(5,6)7;;;;/h1-10H;2*3-4H2,1-2H3;(H,5,6,7);;;;/q3*-1;;4*+1/p-1.
What are the key properties of dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate?
dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate has a molecular weight of 873.13 g/mol, XLogP of -1.88, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate is sourced from PubChem (CID 139163298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).